Glycoside
GD033529
Name:
NoneFormula:
C14H24O14N5P3Smiles:
CCCCNc1nc(O)c2ncn(C3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCNc1nc(O)c2c(n1)[N]C=N2.COP(=O)(O)OP(=O)(O)OP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 12 |
| MolWt: | 579.29 | Num_heavy_atoms: | 36 |
| TPSA: | 285.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD21392
Formula: C9H12ON5
Smiles:
CCCCNc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.23 | Num_heavy_atoms: | 15 |
| TPSA: | 84.5 | NumAromaticRings: | 1 |
